CAS 402-31-3 Benzene, 1,3-bis(trifluoromethyl)- (HCID 223106)

名称と識別子

優先名称: Benzene, 1,3-bis(trifluoromethyl)-
IUPAC: 1,3-bis(trifluoromethyl)benzene
現地名: 1,3-ビス(トリフルオロメチル)ベンゼン
英語名: 1,3-Bis(trifluoromethyl)-benzene
分子式: C8H4F6
分子量: 214.11

名称と別名

1,3-Bis(trifluoromethyl)benzene402-31-3Benzene, 1,3-bis(trifluoromethyl)-m-Bis(trifluoromethyl)benzenealpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-m-xyleneNSC 103423,5-bis(trifluoromethyl)benzeneEINECS 206-939-4AI3-52239DTXSID1059949EC 206-939-4m-Xylene, alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-

名称をさらに表示

1,3-ビス(トリフルオロメチル)ベンゼン1,3-ジ(トリフルオロメチル)ベンゼン3,5-ビス(トリフルオロメチル)ベンゼンメタキシレンヘキサフルオリドα,α,α,α',α',α'-ヘキサフルオロ-m-キシレンｍ－キシレンヘキサフルオライドｍキシレンヘキサフルオライドMTF-TFM1,3-DI(TRIFLUOROMETHYL)BENZENEM-trifluorotolueneXylene hexafluoridem-Ditrifluorotoluene1,3-Bis(trifluorometM-XYLENE HEXAFLUORIDEMeta-trifluorotoluene

RefChem:562280DTXCID4039730m-Xylene, alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-(8CI)InChI=1/C8H4F6/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h1-41,3-Bis(trifluoromethyl)-benzeneMFCD00000392Hexafluoro-m-xylenealpha,alpha,alpha,beta,beta,beta-Hexafluoro-m-xylene

データベース識別子

CAS: 402-31-3
PubChem CID: 223106
DTXSID: DTXSID1059949
UNII: F7TWF66P6X
EC Number: 206-939-4
Nikkaji: J37.675B

物性

構造計算による物性

XLogP: 3.8
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 0
重原子数: 14
形式電荷: 0
複雑度: 171

実験および物理化学的性質

Density1.378 @25 °C

Boiling Point116 °C @760 [mm Hg]

Kovats Retention Index700

物理化学的性質

融点: -35 °C · -35°C
沸点: 116 · 116-116.3 °C(lit.)
比重(密度): 1.378 g/mL · 1.378 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.379(lit.)
闪点: 26 °C · 26 °C
貯蔵温度: 2 · Sealed in dry,2-8°C
外見: clear liquid
色: Colorless to Light yellow to Light orange
比重: 1.378 · 1.378
水溶解度: 水に不溶。アルコール、エーテル、ベンゼンに可溶。
BRN: 2052589 · 2052589
Dielectric constant: 5.98 · 5.9800000000000004
InChI: 1S/C8H4F6/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h1-4H
InChIKey: SJBBXFLOLUTGCW-UHFFFAOYSA-N
SMILES: FC(F)(F)c1cccc(c1)C(F)(F)F
LogP: 3.83 · 3.83
CAS データベース: 402 · 402-31-3(CAS DataBase Reference)
NISTの化学物質情報: 1 · Benzene, 1,3-bis(trifluoromethyl)-(402-31-3)
EPAの化学物質情報: 1 · Benzene, 1,3-bis(trifluoromethyl)- (402-31-3)

化学的性質

化学的特性CLEAR COLOURLESS LIQUID

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 4.8% (5 of 104) of reports.

Warning

H226 (94.2%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (94.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (94.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (73.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (25%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 104 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 5 of 104 reports by companies.；There are 15 notifications provided by 99 of 104 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory InformationStatus: No longer Valid Update: 13-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30791；Status: Cease Manufacture Update: 27-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6135

Hazard Classes and CategoriesFlam. Liq. 3 (94.2%)；Skin Irrit. 2 (94.2%)；Eye Irrit. 2 (94.2%)；STOT SE 3 (73.1%)；Aquatic Chronic 2 (25%)

安全と保護具

Protective Action Criteria (PAC) · 3 件

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

法規制情報

Regulatory InformationStatus: No longer Valid Update: 13-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30791；Status: Cease Manufacture Update: 27-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6135

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
hs_code: 29039990
risk_code: 10-36/37/38
化審法: (3)-54
消防法: 危-4-2-III
hazard_code: Xi,F
hazard_note: Flammable
safety_code: 26-24/25
hazard_class: 3
packing_group: III
Hazard Classifications: Aquatic Chronic 2Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing InformationBenzene, 1,3-bis(trifluoromethyl)-: ACTIVE

応用分野 · 2 件

使用1,3-Bis(trifluoromethyl)benzene undergoes regioselective metalation and subsequent carboxylation at position 2 to give 2,6-bis(trifluoromethyl)benzoic acid. a convenient, selective synthesis of bis[2,4-bis(trifluoromethyl)phenyl]phosphane derivatives with 1,3-bis(trifluoromethyl)benzene as starting material.

一般的な説明Lithiation reaction of 1,3-bis(trifluoromethyl)benzene has been investigated. 1,3-Bis(trifluoromethyl)benzene undergoes regioselective metalation and subsequent carboxylation at position 2 to give 2,6-bis(trifluoromethyl)benzoic acid.

上流・下流製品情報

上流原料

m-キシレン 4-フルオロトルエンフッ化水素酸

下流製品

3,5-ビス(トリフルオロメチル)安息香酸ペルフルオロ(1,3-ジメチルシクロヘキサン)ペルフルオロメチルシクロヘキサン 2,4-ジ(トリフルオロメチル)安息香酸 1-ニトロ-3,5-ビス(トリフルオロメチル)ベンゼン 3,5-ビス(トリフルオロメチル)フェノール 1-メチル-3-(トリフルオロメチル)ベンゼンベンゾトリフルオリドイソフタル酸 Benzenemethanol, 2,6-bis(trifluoromethyl)-

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化合物ノート

読み込み中…

1,3-ビス(トリフルオロメチル)ベンゼン

基本情報